Geometry & MOs

Info

ID:	196966
PubChem CID:	78902445
Reduced:	BrN2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	7.84
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Br

DOS

IR

Vibrations