Geometry & MOs

Info

ID:	243453
PubChem CID:	99223619
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	458.231791
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	4.84
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CCC1=CC=CC=N1)CC(=O)NC2=CC=CC=C2C(=O)NC3CCCC3

DOS

IR

Vibrations