Geometry & MOs

Info

ID:	373100
PubChem CID:	131309942
Reduced:	SN2O3C9H10 (1)
Stoich.:	AB2C3D9E10 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-103.26
Dipole, Da:	2.91
IP(EA), eV:	-8.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(azepan-4-yl)imidazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=CS1)NCC(=O)N2

DOS

IR

Vibrations