Geometry & MOs

Info

ID:	126881
PubChem CID:	50982940
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	308.200097
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	4.95
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1-quinolin-4-ylmethanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)CN3[C@@H]4CC[C@H]3CNC(=O)C4

DOS

IR

Vibrations