Geometry & MOs

Info

ID:	77465
PubChem CID:	49635703
Reduced:	FON5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	417.237604
ΔH_f, kcal/mol:	-54.82
Dipole, Da:	4.45
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethylcarbamoylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)NC2CCN(CC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations