Geometry & MOs

Info

ID:	330477
PubChem CID:	127247884
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	339.252192
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycyclohexyl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)N2CCN(CC(C2)C(=O)N)C3CCOCC3

DOS

IR

Vibrations