Geometry & MOs

Info

ID:	421191
PubChem CID:	135115531
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	10.08
IP(EA), eV:	-9.28(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-1-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]azepane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=O)C(=C1)C(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations