Geometry & MOs

Info

ID:	368214
PubChem CID:	127327765
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	366.145868
ΔH_f, kcal/mol:	-58.23
Dipole, Da:	6.2
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(morpholine-4-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)Cl)NC(=O)C23NC(=O)CN3C

DOS

IR

Vibrations