Geometry & MOs

Info

ID:	424628
PubChem CID:	135123384
Reduced:	O3N5H29C33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	48.73
Dipole, Da:	3.41
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-(hydroxymethyl)-4-methylphenyl]-2,2-dimethyl-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4=CN=C(C=C4)N)C5=CC=NN5C6=CC=CC=C6)C7(C2=O)CCC7

DOS

IR

Vibrations