Geometry & MOs

Info

ID:	364623
PubChem CID:	127315875
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-59.97
Dipole, Da:	5.05
IP(EA), eV:	-9.15(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(3-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CN(N=C2C)C

DOS

IR

Vibrations