Geometry & MOs

Info

ID:	76260
PubChem CID:	48424693
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-141.83
Dipole, Da:	6.69
IP(EA), eV:	-8.88(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(4-methyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC(=CC=C2)N3CCCCC3=O

DOS

IR

Vibrations